(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide

C18H24N4O — CID 151097344

IUPAC(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESNCCCNC(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C18H24N4O/c19-5-2-6-20-18(23)12-7-14-13-3-1-4-15-17(13)11(9-21-15)8-16(14)22-10-12/h1,3-4,9,12,14,16,21-22H,2,5-8,10,19H2,(H,20,23)/t12?,14-,16-/m1/s1
InChIKeyMNJUDARZQRJVMC-DTQDAUPPSA-N
MW312.42 g/mol
LogP1.25
Rot. Bonds4

About (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 151097344) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID151097344
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESNCCCNC(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C18H24N4O/c19-5-2-6-20-18(23)12-7-14-13-3-1-4-15-17(13)11(9-21-15)8-16(14)22-10-12/h1,3-4,9,12,14,16,21-22H,2,5-8,10,19H2,(H,20,23)/t12?,14-,16-/m1/s1
InChIKeyMNJUDARZQRJVMC-DTQDAUPPSA-N
XLogP1.25
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
CID 70167957
(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 15780345
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 57294554
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 123799019
(6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 143894288
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 10927015
2-[[(9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethanol
CID 90128946
CID 67851799
CID 67851799
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide;indolo[4,3-fg]quinoline
CID 23616047
(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 70573336

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 151097344) is (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide is NCCCNC(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.
What is the InChIKey of (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is MNJUDARZQRJVMC-DTQDAUPPSA-N. The full InChI is InChI=1S/C18H24N4O/c19-5-2-6-20-18(23)12-7-14-13-3-1-4-15-17(13)11(9-21-15)8-16(14)22-10-12/h1,3-4,9,12,14,16,21-22H,2,5-8,10,19H2,(H,20,23)/t12?,14-,16-/m1/s1.
What are the key properties of (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 151097344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).